2-(4-bromanylphenoxy)-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-(4-o-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4/c1-26-19-5-3-4-16(21(19)27-2)14-23-10-12-24(13-11-23)20(25)15-28-18-8-6-17(22)7-9-18/h3-9H,10-15H2,1-2H3/p+1